N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide

C7H11N3O2 — CID 130014157

IUPACN-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
SMILESCNC(=O)Cn1[nH]c(C)cc1=O
InChIInChI=1S/C7H11N3O2/c1-5-3-7(12)10(9-5)4-6(11)8-2/h3,9H,4H2,1-2H3,(H,8,11)
InChIKeyARFNMMDGDSVSFU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.77
Rot. Bonds2

About N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide

N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide (PubChem CID 130014157) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
PubChem CID130014157
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
SMILESCNC(=O)Cn1[nH]c(C)cc1=O
InChIInChI=1S/C7H11N3O2/c1-5-3-7(12)10(9-5)4-6(11)8-2/h3,9H,4H2,1-2H3,(H,8,11)
InChIKeyARFNMMDGDSVSFU-UHFFFAOYSA-N
XLogP-0.77
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide (CID 130014157) is N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide is CNC(=O)Cn1[nH]c(C)cc1=O.
What is the InChIKey of N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
The InChIKey is ARFNMMDGDSVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-3-7(12)10(9-5)4-6(11)8-2/h3,9H,4H2,1-2H3,(H,8,11).
What are the key properties of N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide?
N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide has a molecular weight of 169.18 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide is sourced from PubChem (CID 130014157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).